Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Aromatase' and Ligand = 'BDBM50014314'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aromatase (Homo sapiens (Human))	BDBM50014314 (9a,11a-Dimethyl-3a,4,5,9a,9b,10,11,11a-octahydro-3...) Show SMILES [H][C@@]12COC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:22,t:18| Show InChI InChI=1S/C18H22O3/c1-17-7-5-12(19)9-11(17)3-4-13-14(17)6-8-18(2)15(13)10-21-16(18)20/h5,7,9,13-15H,3-4,6,8,10H2,1-2H3/t13-,14+,15+,17+,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity was measured on Cytochrome P450 19A1				J Med Chem 33: 2933-42 (1990) BindingDB Entry DOI: 10.7270/Q2VM4CW9
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014314 (9a,11a-Dimethyl-3a,4,5,9a,9b,10,11,11a-octahydro-3...) Show SMILES [H][C@@]12COC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:22,t:18| Show InChI InChI=1S/C18H22O3/c1-17-7-5-12(19)9-11(17)3-4-13-14(17)6-8-18(2)15(13)10-21-16(18)20/h5,7,9,13-15H,3-4,6,8,10H2,1-2H3/t13-,14+,15+,17+,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Competitive inhibition of binding to human placental aromatase Cytochrome P450 19A1				J Med Chem 32: 651-8 (1989) BindingDB Entry DOI: 10.7270/Q29024CR
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50014314 (9a,11a-Dimethyl-3a,4,5,9a,9b,10,11,11a-octahydro-3...) Show SMILES [H][C@@]12COC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:22,t:18| Show InChI InChI=1S/C18H22O3/c1-17-7-5-12(19)9-11(17)3-4-13-14(17)6-8-18(2)15(13)10-21-16(18)20/h5,7,9,13-15H,3-4,6,8,10H2,1-2H3/t13-,14+,15+,17+,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Competitive inhibition of binding to human placental aromatase Cytochrome P450 19A1				J Med Chem 32: 651-8 (1989) BindingDB Entry DOI: 10.7270/Q29024CR
					More data for this Ligand-Target Pair